Molecule Details
InChIKeyXGALLCVXEZPNRQ-UHFFFAOYSA-N
Compound NameGefitinib
Canonical SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)39
Pfam Stratification Cross-Family
Avg pChEMBL6.54
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00317
Drug NameGefitinib
CAS Number184475-35-2
Groups approved investigational
ATC Codes L01EB01
DescriptionGefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa.

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors Heterocyclic Compounds, Fused-Ring Kinase Inhibitor P-glycoprotein inhibitors P-glycoprotein substrates Protein Kinase Inhibitors Quinazolines Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 5447 ChEBI: 49668 CHEMBL939 ChemSpider: 110217 Drugs Product Database (DPD): 13090 D01977 PDB: IRE PharmGKB: PA131301952 PubChem:123631 PubChem:46508649 RxCUI: 328134 Therapeutic Targets Database: DAP000657 Wikipedia: Gefitinib ZINC: ZINC000019632614
Target Activities (39)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.4 pIC50 TTD_MultiTarget
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 8.0 pIC50 TTD_MultiTarget
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 8.0 IC50 ChEMBL;BindingDB
O14976 GAK Homo sapiens Human PF00069 PF10409 7.9 Kd ChEMBL;BindingDB
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 7.3 IC50 ChEMBL;BindingDB
Q04206 RELA Homo sapiens Human PF16179 PF00554 7.3 IC50 ChEMBL;BindingDB
P08631 HCK Homo sapiens Human PF07714 PF00017 PF00018 7.0 IC50 ChEMBL
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 6.8 Kd ChEMBL;BindingDB
Q56UN5 MAP3K19 Homo sapiens Human PF00069 6.6 Kd ChEMBL;BindingDB
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 6.6 Ki ChEMBL
Q9BUB5 MKNK1 Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
Q8NE63 HIPK4 Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
Q9H0K1 SIK2 Homo sapiens Human PF00069 PF23312 6.5 Ki ChEMBL
Q9HBH9 MKNK2 Homo sapiens Human PF00069 6.4 Kd ChEMBL;BindingDB
Q15303 ERBB4 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.4 IC50 ChEMBL;BindingDB
P49674 CSNK1E Homo sapiens Human PF00069 6.4 Kd ChEMBL;BindingDB
Q9UNQ0 ABCG2 Homo sapiens Human PF01061 PF19055 PF00005 6.3 IC50 ChEMBL;BindingDB
O94804 STK10 Homo sapiens Human PF00069 PF12474 6.3 Kd ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 6.3 Kd ChEMBL;BindingDB
Q16539 MAPK14 Homo sapiens Human PF00069 6.3 Ki ChEMBL
O43353 RIPK2 Homo sapiens Human PF00619 PF07714 6.3 Kd ChEMBL;BindingDB
Q52WX2 SBK1 Homo sapiens Human PF00069 6.2 Kd ChEMBL;BindingDB
Q15375 EPHA7 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.2 Kd BindingDB
Q9UF33 EPHA6 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.2 Kd ChEMBL;BindingDB
Q13163 MAP2K5 Homo sapiens Human PF00564 PF00069 6.2 Kd ChEMBL;BindingDB
P50613 CDK7 Homo sapiens Human PF00069 6.2 Kd ChEMBL;BindingDB
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.2 Kd ChEMBL;BindingDB
O96017 CHEK2 Homo sapiens Human PF00498 PF00069 6.2 Kd ChEMBL;BindingDB
Q9NWZ3 IRAK4 Homo sapiens Human PF07714 6.1 Kd ChEMBL;BindingDB
P21860 ERBB3 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 6.1 Kd ChEMBL;BindingDB
P53779 MAPK10 Homo sapiens Human PF00069 6.1 Ki ChEMBL
Q9H2G2 SLK Homo sapiens Human PF00069 PF12474 6.0 Kd ChEMBL;BindingDB
Q13882 PTK6 Homo sapiens Human PF07714 PF00017 PF00018 6.0 IC50 ChEMBL;BindingDB
O95819 MAP4K4 Homo sapiens Human PF00780 PF00069 6.0 Ki ChEMBL
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 6.0 Kd ChEMBL;BindingDB
P22830 FECH Homo sapiens Human PF00762 6.0 Kd BindingDB
P36888 FLT3 Homo sapiens Human PF00047 PF07714 6.0 Kd ChEMBL;BindingDB
P51451 BLK Homo sapiens Human PF07714 PF00017 PF00018 6.0 Ki ChEMBL
P54760 EPHB4 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.0 IC50 ChEMBL
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P02763 P02763 Alpha-1-acid glycoprotein 1 substrate carriers
P02768 ALB Albumin substrate carriers
P04798 CYP1A1 Cytochrome P450 1A1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P04798 CYP1A1 Cytochrome P450 1A1 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P00533 EGFR Epidermal growth factor receptor antagonist targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 substrate transporters